Computational_Chemistry:
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['1. XlogP :19 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 448 ', '7. Heavy Atom Count :15 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :274 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
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More_Info:
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['1 . Appearance White or 黄White 针状结晶,无臭,味苦 ', '2 . Relative vapor density(g/mL,Atmosphere =1)Unknow ', '3 . Melting point(ºC)145 ', '4 . Boiling point(ºC,Atmospheric pressure)Unknow ', '5 . Boiling point(ºC,21mmHg)Unknow ', '6 . Refractive indexUnknow ', '7 . Flash point(ºC)Unknow ', '8 . Specific rotation(º)Unknow ', '9 . Spontaneous ignition point or ignition temperature(ºC)Unknow ', '10 . Vapor pressure(hPa,377ºC)Unknow ', '11 . Saturated vapor pressure(kPa,1144 ºC)Unknow ', '12 . Combustion heat(KJ/mol)Unknow ', '13 . Critical temperature(ºC)Unknow ', '14 . Critical pressure(MPa)Unknow ', '15 . Oil-water(Octanol /Water )Logarithmic Value of Distribution Coefficient Unknow ', '16 . Upper limit of explosion(%,V/V)Unknow ', '17 . Lower limit of explosion(%,V/V)Unknow . Solubility 易Soluble in 氯仿丙酮,Soluble in Ethanol 溶液and 氢']
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